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MassBank Record: PT106400

O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid, (2S)-2-amino-4-(4-hydroxy-4-oxobutanoyl)oxybutanoic acid; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT106400
RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid, (2S)-2-amino-4-(4-hydroxy-4-oxobutanoyl)oxybutanoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: O-Succinylhomoserine
CH$NAME: O-Succinyl-L-homoserine
CH$NAME: (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid
CH$NAME: (2S)-2-amino-4-(4-hydroxy-4-oxobutanoyl)oxybutanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C8H13NO6
CH$EXACT_MASS: 219.193
CH$SMILES: C(COC(=O)CCC(=O)O)C(C(=O)O)N
CH$IUPAC: InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)
CH$LINK: CAS 1492-23-5
CH$LINK: INCHIKEY GNISQJGXJIDKDJ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 220.08208

PK$SPLASH: splash10-0fk9-5910000000-24306181c3594063ba39
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  73.0298 218.4 113
  74.0249 340.0 175
  74.0612 1050.0 542
  84.0457 239.4 123
  101.0247 557.7 288
  102.0557 1937.0 999
  120.0668 579.4 299
  220.0821 547.1 282
//

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